1GWL

Carbohydrate binding module family29 complexed with mannohexaose

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SRS BEAMLINE PX9.6
Synchrotron site	SRS
Beamline	PX9.6
Temperature [K]	110
Detector technology	CCD
Detector	ADSC CCD
Spacegroup name	C 1 2 1
Unit cell lengths	51.619, 43.176, 60.731
Unit cell angles	90.00, 93.85, 90.00

Refinement procedure

Resolution	20.000 - 1.510
R-factor	0.156
Rwork	0.154
R-free	0.18000 *
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	NATIVE CBM29 SOLVED BY MAD
RMSD bond length	0.017 *
RMSD bond angle	1.900 *
Data reduction software	DENZO
Data scaling software	SCALEPACK
Phasing software	AMoRE
Refinement software	REFMAC (5.1.11)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	20.000	1.570
High resolution limit [Å]	1.520	1.520
Rmerge	0.085	0.230 *
Number of reflections	20412
<I/σ(I)>	13.8	3.86
Completeness [%]	99.0	93 *
Redundancy	3.3	2.6

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	Vapor diffusion *	7.5		3.0M AMMONIUM SULFATE, 10MM MANNOHEXAOSE, 25% GLYCEROL, pH 7.50

Crystallization Reagents in Literatures

ID	crystal ID	solution	reagent name	concentration (unit)	details
1	1	drop	ammonium sulfate	3.0 (M)
2	1	drop	protein	10 (mg/ml)
3	1	drop	mannohexaose	10 (mM)